UCSF

ZINC39859769

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.27 11.82 -42.03 1 3 1 37 307.417 5
Mid Mid (pH 6-8) 4.27 9.89 -7.26 0 3 0 36 306.409 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )